![4-{2-[(7E)-7-benzylidene-3-phenyl-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl]-1,3-thiazol-4-yl}benzene-1,2-diol structure](/static/products/301/301861-05-2.png)
4-{2-[(7E)-7-benzylidene-3-phenyl-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl]-1,3-thiazol-4-yl}benzene-1,2-diol
TL;DR: 4-{2-[(7E)-7-benzylidene-3-phenyl-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl]-1,3-thiazol-4-yl}benzene-1,2-diol (CAS 301861-05-2) is a chemical compound with molecular formula C29H25N3O2S and molecular weight 479.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[2-[(7E)-7-benzylidene-3-phenyl-3a,4,5,6-tetrahydro-3H-indazol-2-yl]-1,3-thiazol-4-yl]benzene-1,2-diol
Also Known As: 4-{2-[(7E)-7-benzylidene-3-phenyl-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl]-1,3-thiazol-4-yl}benzene-1,2-diol, (E)-4-(2-(7-benzylidene-3-phenyl-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl)thiazol-4-yl)benzene-1,2-diol, 4-[2-(7-benzylidene-3-phenyl-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl)-1,3-thiazol-4-yl]-1,2-benzenediol, 4-[2-[(7E)-7-benzylidene-3-phenyl-3a,4,5,6-tetrahydro-3H-indazol-2-yl]-1,3-thiazol-4-yl]benzene-1,2-diol
| Molecular Formula | C29H25N3O2S |
|---|---|
| Molecular Weight | 479.17 g/mol |
| LogP | 7.0223 |
| Topological Polar Surface Area | 68.95 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 479.16675 |
| Heavy Atoms | 35 |
| Complexity | 1412.3896 |
Chemical Identifiers
| CAS Number | 301861-05-2 |
|---|---|
| SMILES | C1CC2C(N(N=C2/C(=C/C3=CC=CC=C3)/C1)C4=NC(=CS4)C5=CC(=C(C=C5)O)O)C6=CC=CC=C6 |
Product Overview
4-{2-[(7E)-7-benzylidene-3-phenyl-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl]-1,3-thiazol-4-yl}benzene-1,2-diol (CAS 301861-05-2), with molecular formula C29H25N3O2S and molecular weight 479.17 g/mol. IUPAC: 4-[2-[(7E)-7-benzylidene-3-phenyl-3a,4,5,6-tetrahydro-3H-indazol-2-yl]-1,3-thiazol-4-yl]benzene-1,2-diol.
Chemical Property Profile of 4-{2-[(7E)-7-benzylidene-3-phenyl-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl]-1,3-thiazol-4-yl}benzene-1,2-diol
Property Insights of 4-{2-[(7E)-7-benzylidene-3-phenyl-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl]-1,3-thiazol-4-yl}benzene-1,2-diol
The XLogP value of 7.0223 indicates that 4-{2-[(7E)-7-benzylidene-3-phenyl-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl]-1,3-thiazol-4-yl}benzene-1,2-diol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.95 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-{2-[(7E)-7-benzylidene-3-phenyl-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl]-1,3-thiazol-4-yl}benzene-1,2-diol. Following Lipinski's Rule of Five, 4-{2-[(7E)-7-benzylidene-3-phenyl-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl]-1,3-thiazol-4-yl}benzene-1,2-diol has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-{2-[(7E)-7-benzylidene-3-phenyl-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl]-1,3-thiazol-4-yl}benzene-1,2-diol?
The CAS number of 4-{2-[(7E)-7-benzylidene-3-phenyl-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl]-1,3-thiazol-4-yl}benzene-1,2-diol is 301861-05-2.
What is the molecular formula of 4-{2-[(7E)-7-benzylidene-3-phenyl-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl]-1,3-thiazol-4-yl}benzene-1,2-diol?
The molecular formula of 4-{2-[(7E)-7-benzylidene-3-phenyl-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl]-1,3-thiazol-4-yl}benzene-1,2-diol is C29H25N3O2S.
What is the molecular weight of 4-{2-[(7E)-7-benzylidene-3-phenyl-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl]-1,3-thiazol-4-yl}benzene-1,2-diol?
The molecular weight of 4-{2-[(7E)-7-benzylidene-3-phenyl-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl]-1,3-thiazol-4-yl}benzene-1,2-diol is 479.17 g/mol.
Where can I buy 4-{2-[(7E)-7-benzylidene-3-phenyl-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl]-1,3-thiazol-4-yl}benzene-1,2-diol?
You can request a quote for 4-{2-[(7E)-7-benzylidene-3-phenyl-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl]-1,3-thiazol-4-yl}benzene-1,2-diol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-{2-[(7E)-7-benzylidene-3-phenyl-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl]-1,3-thiazol-4-yl}benzene-1,2-diol?
Yes, KEHONG BIO provides custom synthesis services for 4-{2-[(7E)-7-benzylidene-3-phenyl-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl]-1,3-thiazol-4-yl}benzene-1,2-diol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.